2OJL

Crystal structure of Q7WAF1_BORPA from Bordetella parapertussis. Northeast Structural Genomics target BpR68.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97917
Spacegroup name	P 42 21 2
Unit cell lengths	65.671, 65.671, 76.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.198
Rwork	0.198
R-free	0.21800
Structure solution method	SAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.090	0.056	0.348
Number of reflections	18616
<I/σ(I)>	12.8
Completeness [%]	99.0	99.6	99.6
Redundancy	10.7	10.8	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL		293	0.1M NH4NO3, 0.1M Na citrate pH 4.0, 20% PEG 1000. Drops: 0.5 microliter protein plus 1 microliter mother liquid, mineral oil, MICROBATCH UNDER OIL, temperature 293K